Compound Detail
CHEMBL3249557
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(C)CC(=O)N[C@H](C(=O)O)[C@@H](C)OC
Basic Information
| ChEMBL ID | CHEMBL3249557 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LQWAUYXRFLMWIB-DZLNWWCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
944.1
MW (Da)
-2.43
ALogP
13
HBA
13
HBD
364.3
PSA (Ų)
0.02
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | Kd | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 39.81 | nM | 7.4 | Antagonist activity at angiotensin 2 receptor in Sprague-Dawley rat uterus asses... | 490564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 490564 | 10.1021/jm00195a032 | Angiotensin II receptor | 2 |
| 490564 | 10.1021/jm00195a032 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine